2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole

C52H32N2O — CID 167243453

IUPAC2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5oc6ccccc6c45)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-33(14-3-1)38-17-6-9-20-44(38)54-47-28-26-37(31-42(47)43-29-34-15-4-5-16-35(34)32-49(43)54)36-25-27-46-41(30-36)39-18-7-10-21-45(39)53(46)48-22-12-24-51-52(48)40-19-8-11-23-50(40)55-51/h1-32H
InChIKeyNCYCZEQZOKOWIT-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole

2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole (PubChem CID 167243453) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
PubChem CID167243453
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5oc6ccccc6c45)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-33(14-3-1)38-17-6-9-20-44(38)54-47-28-26-37(31-42(47)43-29-34-15-4-5-16-35(34)32-49(43)54)36-25-27-46-41(30-36)39-18-7-10-21-45(39)53(46)48-22-12-24-51-52(48)40-19-8-11-23-50(40)55-51/h1-32H
InChIKeyNCYCZEQZOKOWIT-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole?
The IUPAC name of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole (CID 167243453) is 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole is c1ccc(-c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5oc6ccccc6c45)cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole?
The InChIKey is NCYCZEQZOKOWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-13-33(14-3-1)38-17-6-9-20-44(38)54-47-28-26-37(31-42(47)43-29-34-15-4-5-16-35(34)32-49(43)54)36-25-27-46-41(30-36)39-18-7-10-21-45(39)53(46)48-22-12-24-51-52(48)40-19-8-11-23-50(40)55-51/h1-32H.
What are the key properties of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole?
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole is sourced from PubChem (CID 167243453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).